3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide

C13H18N2O — CID 43533090

IUPAC3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)C2CC2)cc1N
InChIInChI=1S/C13H18N2O/c1-8-3-4-11(7-12(8)14)13(16)15-9(2)10-5-6-10/h3-4,7,9-10H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyPTVYWDMAPIAVKN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.11
Rot. Bonds3

About 3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide

3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide (PubChem CID 43533090) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
PubChem CID43533090
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)C2CC2)cc1N
InChIInChI=1S/C13H18N2O/c1-8-3-4-11(7-12(8)14)13(16)15-9(2)10-5-6-10/h3-4,7,9-10H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyPTVYWDMAPIAVKN-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103812285
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
CID 61094426
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289552
N-(1-cyclopropylethyl)-3-methyl-4-(methylamino)benzamide
CID 63210093
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
CID 116628580
3,5-diamino-N-(1-cyclopropylethyl)benzamide
CID 61094229
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide (CID 43533090) is 3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide is Cc1ccc(C(=O)NC(C)C2CC2)cc1N.
What is the InChIKey of 3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide?
The InChIKey is PTVYWDMAPIAVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-3-4-11(7-12(8)14)13(16)15-9(2)10-5-6-10/h3-4,7,9-10H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide?
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide is sourced from PubChem (CID 43533090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).